SCHEMBL4528836

SCHEMBL4528836

C[C@@H](N)c1ccc(C(=O)Nc2ccnc(F)c2)cc1-c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.56
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ROCK1 Q13464 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
PPARG P37231 2/20 0.39
NCOA2 Q15596 2/20 0.39
NCOA1 Q15788 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4525617 0.88 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL4516227 0.88 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL4517803 0.88 ROCK2 (0.65) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4504512 0.87 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4514078 0.87 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4521055 0.87 ROCK2 (0.64) ROCK2ROCK1NPC1RAB9ASMN1; SMN2
SCHEMBL4525361 0.80 ROCK2 (0.52) ROCK2
SCHEMBL4527225 0.77 CIT (0.60) ROCK2CYP1A2CYP3A4CYP2C19ROCK1
SCHEMBL4505598 0.77 ROCK2 (0.51) ROCK2CYP1A2CYP3A4CYP2C19ROCK1
SCHEMBL4516460 0.77 ROCK2 (0.51) ROCK2CYP1A2CYP3A4CYP2C19ROCK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ROCK2 32/4885CYP1A2 1743/4885CYP3A4 2235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.